SCHEMBL10006567

SCHEMBL10006567

O=C(Nc1cccc(CC2(C(=O)O)CC2)c1)[C@@H](c1ccc(Cl)cc1F)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 10/20 0.45
PTGES O14684 2/20 0.45
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
HTR1E P28566 2/20 0.41
KMT2A Q03164 2/20 0.41
S1PR3 Q99500 2/20 0.41
MAPT P10636 1/20 0.41
PTGS2 P35354 3/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HTT P42858 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10006477 1.00 ACKR3 (0.45) ACKR3PTGESMEN1LMNAHTR1E
SCHEMBL10006452 1.00 ACKR3 (0.45) ACKR3PTGESMEN1LMNAHTR1E
SCHEMBL10006303 0.91 PTGES (0.46) ACKR3PTGESMEN1LMNAHTR1E
SCHEMBL11932110 0.88 ACKR3 (0.41) ACKR3PTGESMEN1KMT2APTGS2
SCHEMBL10006274 0.88 PTGES (0.43) ACKR3PTGESKMT2APTGS2CNR1
Bicarbonate SCHEMBL16735562 0.86 ACKR3 (0.47) ACKR3PTGESMEN1LMNAHTR1E
Bicarbonate SCHEMBL16735555 0.86 ACKR3 (0.47) ACKR3PTGESMEN1LMNAHTR1E
Bicarbonate SCHEMBL16735577 0.86 ACKR3 (0.47) ACKR3PTGESMEN1LMNAHTR1E
SCHEMBL10006296 0.86 PTGES (0.56) ACKR3PTGESMEN1LMNAHTR1E
SCHEMBL10006307 0.86 PTGES (0.56) ACKR3PTGESMEN1LMNAHTR1E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649045-B1 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2015-05-27 EP disclosed
EP-2649045-B1 SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2015-05-27 EP disclosed
US-9018258-B2 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-9018258-B2 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-9018258-B2 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 US disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 US disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof PC, ACACA, PCCA ACKR3 3131/4885PTGES 1094/4885MEN1 3894/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.